1,3-dimethoxypropan-2-amine;hydrochloride

C5H14ClNO2 — CID 18427749

IUPAC1,3-dimethoxypropan-2-amine;hydrochloride
SMILESCOCC(N)COC.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-7-3-5(6)4-8-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyUXTMZEUXBGJMCH-UHFFFAOYSA-N
MW155.62 g/mol
LogP0.03
Rot. Bonds4

About 1,3-dimethoxypropan-2-amine;hydrochloride

1,3-dimethoxypropan-2-amine;hydrochloride (PubChem CID 18427749) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is 1,3-dimethoxypropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1,3-dimethoxypropan-2-amine;hydrochloride
PubChem CID18427749
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name1,3-dimethoxypropan-2-amine;hydrochloride
SMILESCOCC(N)COC.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-7-3-5(6)4-8-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyUXTMZEUXBGJMCH-UHFFFAOYSA-N
XLogP0.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropan-2-amine;hydrochloride?
The IUPAC name of 1,3-dimethoxypropan-2-amine;hydrochloride (CID 18427749) is 1,3-dimethoxypropan-2-amine;hydrochloride.
What is the SMILES notation for 1,3-dimethoxypropan-2-amine;hydrochloride?
The canonical SMILES for 1,3-dimethoxypropan-2-amine;hydrochloride is COCC(N)COC.Cl.
What is the InChIKey of 1,3-dimethoxypropan-2-amine;hydrochloride?
The InChIKey is UXTMZEUXBGJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-7-3-5(6)4-8-2;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of 1,3-dimethoxypropan-2-amine;hydrochloride?
1,3-dimethoxypropan-2-amine;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropan-2-amine;hydrochloride is sourced from PubChem (CID 18427749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).